![methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate structure](/static/products/4271/42717-46-4.webp)
methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate
TL;DR: methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate (CAS 42717-46-4) is a chemical compound with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate
Also Known As: methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate, Methyl 2-[(1E)-N-tert-butylethanimidamido]benzoate, METHYL 2-[(C-METHYL-N-TERT-BUTYL-CARBONIMIDOYL)AMINO]BENZOATE
| Molecular Formula | C14H20N2O2 |
|---|---|
| Molecular Weight | 248.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.15248 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 42717-46-4 |
|---|---|
| SMILES | CC(=NC(C)(C)C)NC1=CC=CC=C1C(=O)OC |
| InChIKey | SFEXDZYRKIEEAW-UHFFFAOYSA-N |
Product Overview
methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate (CAS 42717-46-4), with molecular formula C14H20N2O2 and molecular weight 248.15 g/mol. IUPAC: methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate.
Chemical Property Profile of methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate
Property Insights of methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate. With a topological polar surface area (TPSA) of 50.7 Ų, methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
The CAS number of methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate is 42717-46-4.
What is the molecular formula of methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
The molecular formula of methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate is C14H20N2O2.
What is the molecular weight of methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
The molecular weight of methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate is 248.15 g/mol.
Where can I buy methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
You can request a quote for methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(N-tert-butyl-C-methylcarbonimidoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.